smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409053306	556931547	/nfs/dbraw/zinc/93/15/47/556931547.db2.gz	BVEUITHLMRXKHX-OQLLNIDSSA-N	-1	2	430.800	2.478	40	10		IECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000409056911	556934412	/nfs/dbraw/zinc/93/44/12/556934412.db2.gz	NMWKCEPJORPWOX-AWNIVKPZSA-N	-1	2	445.771	2.378	40	10		IECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409240380	557021526	/nfs/dbraw/zinc/02/15/26/557021526.db2.gz	TUXOSLDAPRIQBV-CDDSVFCYSA-N	-1	2	428.372	2.353	40	10		IECBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c[n-]n4c3nc3ccccc3c4=O)C2=O)cc1C	ZINC000016312189	556599782	/nfs/dbraw/zinc/59/97/82/556599782.db2.gz	FHMUCBKUNDEPHQ-YVLHZVERSA-N	-1	2	427.420	2.459	40	10		IECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012244	556918421	/nfs/dbraw/zinc/91/84/21/556918421.db2.gz	KBUFJOTVYVKUEO-VSXLWIIGSA-N	-1	2	428.372	2.353	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408852953	556870212	/nfs/dbraw/zinc/87/02/12/556870212.db2.gz	OQFVXQJLLKDJBS-RIYZIHGNSA-N	-1	2	430.800	2.478	40	10		IECBLM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000109042013	569261052	/nfs/dbraw/zinc/26/10/52/569261052.db2.gz	UKASIMRZSGGOFQ-ZENNRRHLSA-N	-1	2	441.396	2.307	40	10		IECBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408942316	556897657	/nfs/dbraw/zinc/89/76/57/556897657.db2.gz	ZBSVMYBNHDJKKN-NTUHNPAUSA-N	-1	2	441.352	2.064	40	10		IECBLM
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409050457	556932745	/nfs/dbraw/zinc/93/27/45/556932745.db2.gz	VXKNBBUZPGLYOJ-RIYZIHGNSA-N	-1	2	445.771	2.378	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409254217	557033981	/nfs/dbraw/zinc/03/39/81/557033981.db2.gz	WEIUVNOSXMVZEH-PILJQMSFSA-N	-1	2	440.408	2.222	40	10		IECBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1C(=O)[O-]	ZINC000010038288	132334260	/nfs/dbraw/zinc/33/42/60/132334260.db2.gz	LRVNIEAWGYDPTI-LFIBNONCSA-N	-1	2	438.392	2.237	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c(OC)c1	ZINC000409193729	556992927	/nfs/dbraw/zinc/99/29/27/556992927.db2.gz	LSFJEVCBJJWDBR-XBUHWIKASA-N	-1	2	440.408	2.222	40	10		IECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000059679617	557828520	/nfs/dbraw/zinc/82/85/20/557828520.db2.gz	VIRXVHLQHSNWLP-LFYBBSHMSA-N	-1	2	444.783	2.199	40	10		IECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000409043353	556929727	/nfs/dbraw/zinc/92/97/27/556929727.db2.gz	QFSFYQHHZAWQTH-XYOKQWHBSA-N	-1	2	430.800	2.478	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c(OC)c1	ZINC000409193727	556992903	/nfs/dbraw/zinc/99/29/03/556992903.db2.gz	LSFJEVCBJJWDBR-JXCQQFQQSA-N	-1	2	440.408	2.222	40	10		IECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409233073	557024717	/nfs/dbraw/zinc/02/47/17/557024717.db2.gz	DEGIHDRNTOUMEM-ZRRZQRFHSA-N	-1	2	428.372	2.353	40	10		IECBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408911697	556888446	/nfs/dbraw/zinc/88/84/46/556888446.db2.gz	CGIMDSRGRUXOOG-OVCLIPMQSA-N	-1	2	428.372	2.354	40	10		IECBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-]	ZINC000010038290	132334277	/nfs/dbraw/zinc/33/42/77/132334277.db2.gz	HKXITDZVABVVKH-OQLLNIDSSA-N	-1	2	425.353	2.358	40	10		IECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000409046270	556930561	/nfs/dbraw/zinc/93/05/61/556930561.db2.gz	JUCZEZJQQJCJCA-NTUHNPAUSA-N	-1	2	445.771	2.378	40	10		IECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000409048631	556932067	/nfs/dbraw/zinc/93/20/67/556932067.db2.gz	TWZGAFQTBPVRDD-VGOFMYFVSA-N	-1	2	430.800	2.478	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408945913	556897377	/nfs/dbraw/zinc/89/73/77/556897377.db2.gz	OHCHQHJTVJOIIQ-KPENOIPVSA-N	-1	2	440.408	2.222	40	10		IECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409045316	556930392	/nfs/dbraw/zinc/93/03/92/556930392.db2.gz	GFGQIBZHWAUEPW-NTUHNPAUSA-N	-1	2	430.800	2.478	40	10		IECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409240379	557021511	/nfs/dbraw/zinc/02/15/11/557021511.db2.gz	TUXOSLDAPRIQBV-BVRAVYJCSA-N	-1	2	428.372	2.353	40	10		IECBLM
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408946623	556898247	/nfs/dbraw/zinc/89/82/47/556898247.db2.gz	ATBWKLAREZEVCO-NYYWCZLTSA-N	-1	2	431.744	2.349	40	10		IECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012243	556918431	/nfs/dbraw/zinc/91/84/31/556918431.db2.gz	KBUFJOTVYVKUEO-GJSJWPQCSA-N	-1	2	428.372	2.353	40	10		IECBLM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409214990	557009606	/nfs/dbraw/zinc/00/96/06/557009606.db2.gz	ZAPLQCBKIMGLLJ-XNTDXEJSSA-N	-1	2	425.353	2.358	40	10		IECBLM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000109042019	569261049	/nfs/dbraw/zinc/26/10/49/569261049.db2.gz	UKASIMRZSGGOFQ-CDCQXCROSA-N	-1	2	441.396	2.307	40	10		IECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409233072	557024573	/nfs/dbraw/zinc/02/45/73/557024573.db2.gz	DEGIHDRNTOUMEM-BTAWCLGRSA-N	-1	2	428.372	2.353	40	10		IECBLM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408830510	556866695	/nfs/dbraw/zinc/86/66/95/556866695.db2.gz	GDBQTVCSEXCEBV-LFIBNONCSA-N	-1	2	438.392	2.237	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409254216	557033961	/nfs/dbraw/zinc/03/39/61/557033961.db2.gz	WEIUVNOSXMVZEH-JASJWYONSA-N	-1	2	440.408	2.222	40	10		IECBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C(=O)[O-]	ZINC000010038282	132334263	/nfs/dbraw/zinc/33/42/63/132334263.db2.gz	MSNCWUSAXLYJFD-XNTDXEJSSA-N	-1	2	425.353	2.358	40	10		IECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408945918	556897460	/nfs/dbraw/zinc/89/74/60/556897460.db2.gz	OHCHQHJTVJOIIQ-YUSFRKCESA-N	-1	2	440.408	2.222	40	10		IECBLM